内嵌富勒烯
- 网络endohedral fullerene
内嵌富勒烯-
本文提出了碳纳米管内嵌富勒烯形成碳纳米豆荚之电子结构及总能量的某些量子化学计算方法与结果，提供了有关碳纳米管内多种富勒烯内嵌热力学及内嵌所得碳纳米豆荚之电子结构。
This paper reports total-energy and electronic structure calculations that provide energetics of encapsulation of various fullerenes in carbon nanotubes and electronic structures of resulting carbon peapods .
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通过计算我们发现碳纳米豆荚的电子态依赖于碳纳米管内的空隙，并且这种空隙又反映了内嵌富勒烯的电子态。
We find that the electron states of the peapods depend on the space in the nanotubes and that they reflect electron states of the encapsulated fullerenes .